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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -79.3381239 | -79.7567936 | 0.4186697 | 0.0000000 | 79.7567936 | ||||||
| cm-1 | 13370.5 | 15748.6 | -2378.1 | ||||||||
| eV | -2158.900 | 1.658 | -2157.242 | -2170.293 | 1.953 | -2168.340 | 11.393 | -0.295 | 11.098 | 0.000 | 2170.293 |